HRID166272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID45073363

2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

C11H7FN2O2

HCID68555592

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc2c(ccn2NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

HCID25099352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be41af487f934de59828b3ad5579eafd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][c:24]2[cH:25][cH:26][n:27]([NH2:31])[c:28]2[cH:29][cH:30]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl-:1].[F:2][c:3]1[cH:4][c:5](-[c:9]2[n:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][n:14]2)[cH:6][cH:7][cH:8]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[OH2:44]>>[F:2][c:3]1[cH:4][c:5](-[c:9]2[n:10][cH:11][c:12]([C:15](=[O:17])[NH:31][n:27]3[cH:26][cH:25][c:24]4[cH:23][c:22]([S:19]([CH3:18])(=[O:20])=[O:21])[cH:30][cH:29][c:28]43)[cH:13][n:14]2)[cH:6][cH:7][cH:8]1